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1009376-86-6 | 3-Piperidinecarboxylic acid, 6-methyl-, methyl ester, hydrochloride (1:1), (3R,6R)-rel-
CAS No: 1009376-86-6 Catalog No: AG00039C MDL No:MFCD27997461
Product Description
Catalog Number:
AG00039C
Chemical Name:
3-Piperidinecarboxylic acid, 6-methyl-, methyl ester, hydrochloride (1:1), (3R,6R)-rel-
CAS Number:
1009376-86-6
Molecular Formula:
C8H16ClNO2
Molecular Weight:
193.6711
MDL Number:
MFCD27997461
IUPAC Name:
methyl (3R,6R)-6-methylpiperidine-3-carboxylate;hydrochloride
InChI:
InChI=1S/C8H15NO2.ClH/c1-6-3-4-7(5-9-6)8(10)11-2;/h6-7,9H,3-5H2,1-2H3;1H/t6-,7-;/m1./s1
InChI Key:
COCIOCKRYRXGEP-ZJLYAJKPSA-N
SMILES:
COC(=O)[C@@H]1CC[C@H](NC1)C.Cl
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
193.087g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.671g/mol
Monoisotopic Mass:
193.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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